U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2Al2B2O7 by Materials Project
Abstract
K2Al2B2O7 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.34 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.76 Å) and two longer (2.78 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded in a 2-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.37 Å. In the fourth K1+ site, K1+ is bonded in a 2-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.40 Å. There are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.73–1.78 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is one shorter (1.73 Å) and three longer (1.77 Å) Al–O bond length. In themore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1223739
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; K2Al2B2O7; Al-B-K-O
- OSTI Identifier:
- 1722287
- DOI:
- https://doi.org/10.17188/1722287
Citation Formats
The Materials Project. Materials Data on K2Al2B2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1722287.
The Materials Project. Materials Data on K2Al2B2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1722287
The Materials Project. 2020.
"Materials Data on K2Al2B2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1722287. https://www.osti.gov/servlets/purl/1722287. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1722287,
title = {Materials Data on K2Al2B2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Al2B2O7 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.34 Å. In the second K1+ site, K1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.76 Å) and two longer (2.78 Å) K–O bond lengths. In the third K1+ site, K1+ is bonded in a 2-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.76–3.37 Å. In the fourth K1+ site, K1+ is bonded in a 2-coordinate geometry to ten O2- atoms. There are a spread of K–O bond distances ranging from 2.69–3.40 Å. There are three inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.73–1.78 Å. In the second Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There is one shorter (1.73 Å) and three longer (1.77 Å) Al–O bond length. In the third Al3+ site, Al3+ is bonded to four O2- atoms to form corner-sharing AlO4 tetrahedra. There are a spread of Al–O bond distances ranging from 1.73–1.78 Å. There are three inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. In the second B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. In the third B3+ site, B3+ is bonded in a trigonal planar geometry to three O2- atoms. There is two shorter (1.38 Å) and one longer (1.39 Å) B–O bond length. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to three K1+ and two Al3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one Al3+, and one B3+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to three K1+, one Al3+, and one B3+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to three K1+, one Al3+, and one B3+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three K1+, one Al3+, and one B3+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one Al3+, and one B3+ atom. In the seventh O2- site, O2- is bonded in a 2-coordinate geometry to three K1+, one Al3+, and one B3+ atom. In the eighth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one Al3+, and one B3+ atom. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one Al3+, and one B3+ atom. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to two K1+, one Al3+, and one B3+ atom. In the eleventh O2- site, O2- is bonded in a distorted linear geometry to two equivalent K1+ and two equivalent Al3+ atoms.},
doi = {10.17188/1722287},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Apr 30 00:00:00 EDT 2020},
month = {Thu Apr 30 00:00:00 EDT 2020}
}